⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3504870 | 1.00 | — | — | |
| SCHEMBL23725742 | 1.00 | — | — | |
| SCHEMBL11468912 | 0.81 | TSHR (0.38) | — | |
| SCHEMBL29728566 | 0.81 | TSHR (0.60) | — | |
| SCHEMBL11346817 | 0.81 | TSHR (0.38) | — | |
| SCHEMBL27507090 | 0.80 | — | — | |
| SCHEMBL28115216 | 0.80 | — | — | |
| SCHEMBL3626522 | 0.79 | — | — | |
| SCHEMBL7601768 | 0.79 | — | — | |
| SCHEMBL473155 | 0.79 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114599652-B | Hydropyrazino [1,2-d ] [1,4] diazepine compounds for the treatment of autoimmune diseases | 豪夫迈·罗氏有限公司 | 2024-07-12 | — | — | CN | disclosed |
| CN-118076606-A | Imidazopyridazine IL-17 inhibitor compounds | 詹森药业有限公司 | 2024-05-24 | — | — | CN | disclosed |
| CN-114599652-A | Hydropyrazino [1,2-d ] [1,4] diazepin compounds for the treatment of autoimmune diseases | 豪夫迈·罗氏有限公司 | 2022-06-07 | — | — | CN | disclosed |
| CN-114478366-A | Pyridone derivative and application thereof in medicine | 海思科医药集团股份有限公司 | 2022-05-13 | — | — | CN | disclosed |
| CN-107922394-B | 3-tetrazolyl-benzene-1, 2-disulfonamide derivatives as metallo-beta-lactamase inhibitors | 默沙东公司 | 2021-07-13 | — | — | CN | disclosed |
| CN-106998692-B | MK2 inhibitors and uses thereof | 西建卡尔有限责任公司 | 2020-09-08 | — | — | CN | disclosed |